15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine

C24H14N2O2 — CID 146428559

IUPAC15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine
SMILESNn1c2ccccc2c2c3c(ccc21)oc1cc2c(cc13)oc1ccccc12
InChIInChI=1S/C24H14N2O2/c25-26-17-7-3-1-6-14(17)23-18(26)9-10-20-24(23)16-12-21-15(11-22(16)28-20)13-5-2-4-8-19(13)27-21/h1-12H,25H2
InChIKeyNJYPNOOJSVDEMU-UHFFFAOYSA-N
MW362.39 g/mol
LogP6.31
Rot. Bonds

About 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine

15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine (PubChem CID 146428559) has the molecular formula C24H14N2O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine.

Molecular Properties

Compound Name15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine
PubChem CID146428559
Molecular FormulaC24H14N2O2
Molecular Weight362.39 g/mol
Exact Mass362.11
IUPAC Name15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine
SMILESNn1c2ccccc2c2c3c(ccc21)oc1cc2c(cc13)oc1ccccc12
InChIInChI=1S/C24H14N2O2/c25-26-17-7-3-1-6-14(17)23-18(26)9-10-20-24(23)16-12-21-15(11-22(16)28-20)13-5-2-4-8-19(13)27-21/h1-12H,25H2
InChIKeyNJYPNOOJSVDEMU-UHFFFAOYSA-N
XLogP6.31
TPSA57.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
14-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 67952738
5-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159714513
14-ethyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90350894
9-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185533
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
15-methyl-10-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 145268618
6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
dibenzofuran-2-amine
CID 19405

Frequently Asked Questions

What is the IUPAC name of 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine?
The IUPAC name of 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine (CID 146428559) is 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine.
What is the SMILES notation for 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine?
The canonical SMILES for 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine is Nn1c2ccccc2c2c3c(ccc21)oc1cc2c(cc13)oc1ccccc12.
What is the InChIKey of 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine?
The InChIKey is NJYPNOOJSVDEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O2/c25-26-17-7-3-1-6-14(17)23-18(26)9-10-20-24(23)16-12-21-15(11-22(16)28-20)13-5-2-4-8-19(13)27-21/h1-12H,25H2.
What are the key properties of 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine?
15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine has a molecular weight of 362.39 g/mol, XLogP of 6.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,25-dioxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaen-10-amine is sourced from PubChem (CID 146428559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).